Skip to main content

A Python package to compute and analyze transport properties.

Project description

Transport Analysis

Latest release Last release tag GitHub commits since latest release (by date) for a branch Documentation Status
Status GH Actions Status codecov
Community License: GPL v2 Powered by MDAnalysis

A Python package to compute and analyze transport properties.

Transport Analysis is bound by a Code of Conduct.

Installation

To build Transport Analysis from source, we highly recommend using virtual environments. If possible, we strongly recommend that you use Anaconda as your package manager. Below we provide instructions both for conda and for pip.

With conda

Ensure that you have conda installed.

Create a virtual environment and activate it:

conda create --name transport_analysis
conda activate transport_analysis

Install the development and documentation dependencies:

conda env update --name transport_analysis --file devtools/conda-envs/test_env.yaml
conda env update --name transport_analysis --file docs/requirements.yaml

Build this package from source:

pip install -e .

If you want to update your dependencies (which can be risky!), run:

conda update --all

And when you are finished, you can exit the virtual environment with:

conda deactivate

With pip

To build the package from source, run:

pip install -e .

If you want to create a development environment, install the dependencies required for tests and docs with:

pip install -e ".[test,doc]"

Copyright

The Transport Analysis source code is hosted at https://github.com/MDAnalysis/transport-analysis and is available under the GNU General Public License, version 2 (see the file LICENSE).

Copyright (c) 2023, Xu Hong Chen

Acknowledgements

Project based on the MDAnalysis Cookiecutter version 0.1. Please cite MDAnalysis when using Transport Analysis in published work.

Project details


Download files

Download the file for your platform. If you're not sure which to choose, learn more about installing packages.

Source Distribution

transport_analysis-0.1.2.tar.gz (4.3 MB view details)

Uploaded Source

Built Distribution

transport_analysis-0.1.2-py3-none-any.whl (4.2 MB view details)

Uploaded Python 3

File details

Details for the file transport_analysis-0.1.2.tar.gz.

File metadata

  • Download URL: transport_analysis-0.1.2.tar.gz
  • Upload date:
  • Size: 4.3 MB
  • Tags: Source
  • Uploaded using Trusted Publishing? No
  • Uploaded via: twine/5.1.1 CPython/3.11.9

File hashes

Hashes for transport_analysis-0.1.2.tar.gz
Algorithm Hash digest
SHA256 3a014df911ff585134eaa2527cfa3ba19ced0874b3e4a5be84c972c8cf85d4fb
MD5 d0ca4f99be9e25f204663c37052d666c
BLAKE2b-256 570a9bbe15f6dcb19300dcc5d10cc100b77d1ea4f1e183d3852c4e727fd8a61f

See more details on using hashes here.

Provenance

File details

Details for the file transport_analysis-0.1.2-py3-none-any.whl.

File metadata

File hashes

Hashes for transport_analysis-0.1.2-py3-none-any.whl
Algorithm Hash digest
SHA256 6c31fb7616f240e7368bbc2aad8f8cee77e8dda9c9e90d3f8ddc273aa404272a
MD5 3c435c7e9e5120fe1cf86868752bdae8
BLAKE2b-256 7bf7a6034e3d492351f10453c26b0b18fcaa5f2560f03076b7b26af37775e4eb

See more details on using hashes here.

Provenance

Supported by

AWS AWS Cloud computing and Security Sponsor Datadog Datadog Monitoring Fastly Fastly CDN Google Google Download Analytics Microsoft Microsoft PSF Sponsor Pingdom Pingdom Monitoring Sentry Sentry Error logging StatusPage StatusPage Status page